ethyl 4-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-(3-phenylpropylsulfonyl)-3-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3-phenylpropylsulfonyl)nipecotoyl]amino]benzoic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-2-31-24(28)20-12-14-22(15-13-20)25-23(27)21-11-6-16-26(18-21)32(29,30)17-7-10-19-8-4-3-5-9-19/h3-5,8-9,12-15,21H,2,6-7,10-11,16-18H2,1H3,(H,25,27)